CID 3059670

Brn 6015140

Structural Information

Molecular Formula
C19H18BrN5O4
SMILES
COC1=CC=CC=C1NC(=O)NC(=O)CNCN2C=NC3=C(C2=O)C=C(C=C3)Br
InChI
InChI=1S/C19H18BrN5O4/c1-29-16-5-3-2-4-15(16)23-19(28)24-17(26)9-21-10-25-11-22-14-7-6-12(20)8-13(14)18(25)27/h2-8,11,21H,9-10H2,1H3,(H2,23,24,26,28)
InChIKey
OZDCNDQGTBUWTD-UHFFFAOYSA-N
Compound name
2-[(6-bromo-4-oxoquinazolin-3-yl)methylamino]-N-[(2-methoxyphenyl)carbamoyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.05423 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.06151 191.6
[M+Na]+ 482.04345 199.6
[M-H]- 458.04695 198.7
[M+NH4]+ 477.08805 201.1
[M+K]+ 498.01739 187.6
[M+H-H2O]+ 442.05149 186.3
[M+HCOO]- 504.05243 210.8
[M+CH3COO]- 518.06808 233.2
[M+Na-2H]- 480.02890 198.0
[M]+ 459.05368 211.6
[M]- 459.05478 211.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.